5-chloranyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole CAS Name: 5-chloro-2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzimidazole Formula: C25H21ClN6S MolecularWeight: 472.99244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl)C6=CC=NC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl)C6=CC=NC=C6

InChI

InChI=1S/C25H21ClN6S/c26-19-6-9-22-21(14-19)28-23(31(22)15-17-4-2-1-3-5-17)16-33-25-30-29-24(32(25)20-7-8-20)18-10-12-27-13-11-18/h1-6,9-14,20H,7-8,15-16H2